Compound C20H18BrClN2O3

(4-bromophenyl)-(4-methyl-12,14-dioxa-8-aza-4-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)methanone chloride

CAS: 50279-96-4

Molecular Formula	`C20H18BrClN2O3`
Molecular Weight	449.7 g/mol
Topological Polar Surface Area	44.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	448.01892
Heavy Atoms	27
Complexity	553.0

Chemical Identifiers

CAS Number	50279-96-4
SMILES	`C[NH+]1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC=C(C=C5)Br)OCO4.[Cl-]`
InChIKey	`LNTHGGRTJIUMTP-UHFFFAOYSA-N`

📖 Product Overview

Compound C20H18BrClN2O3 (CAS: 50279-96-4) is a chemical compound with molecular formula C20H18BrClN2O3 and molecular weight 449.7 g/mol. Its IUPAC systematic name is (4-bromophenyl)-(4-methyl-12,14-dioxa-8-aza-4-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)methanone chloride. Topological Polar Surface Area 44.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 1 Exact Mass 448.01892 Heavy Atoms 27 Complexity 553.0 InChI Key: LNTHGGRTJIUMTP-UHFFFAOYSA-N. SMILES: C[NH+]1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC=C(C=C5)Br)OCO4.[Cl-].

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